3,4-dihydronaphthalene-1-sulfonyl chloride

C10H9ClO2S — CID 54105806

IUPAC3,4-dihydronaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=CCCc2ccccc21
InChIInChI=1S/C10H9ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6-7H,3,5H2
InChIKeyNDRDJMFRANXMGB-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.54
Rot. Bonds1

About 3,4-dihydronaphthalene-1-sulfonyl chloride

3,4-dihydronaphthalene-1-sulfonyl chloride (PubChem CID 54105806) has the molecular formula C10H9ClO2S and a molecular weight of 228.70 g/mol. Its IUPAC name is 3,4-dihydronaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name3,4-dihydronaphthalene-1-sulfonyl chloride
PubChem CID54105806
Molecular FormulaC10H9ClO2S
Molecular Weight228.70 g/mol
Exact Mass228.00
IUPAC Name3,4-dihydronaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=CCCc2ccccc21
InChIInChI=1S/C10H9ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6-7H,3,5H2
InChIKeyNDRDJMFRANXMGB-UHFFFAOYSA-N
XLogP2.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydronaphthalene-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenylmethanesulfonyl chloride
CID 74740
(1,1'-Biphenyl)-4-sulphonyl chloride
CID 74192
Benzeneethanesulfonamide
CID 204808
3-Phenylpropane-1-sulfonamide
CID 12574638
(E)-2-phenylethene-1-sulfonyl chloride
CID 5369377
3-Phenylpropane-1-sulfonyl fluoride
CID 25017076
4-Phenylbutane-1-sulfonyl fluoride
CID 71452049
4-Ethylbenzene-1-sulfonyl chloride
CID 570959
4-N-Propylbenzenesulphonyl chloride
CID 2737222
2-Phenylethane-1-sulfonyl chloride
CID 2760374
3,4-Dimethylbenzenesulfonyl chloride
CID 3689743
4-Cyclohexylbenzene-1-sulfonyl chloride
CID 4339442

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydronaphthalene-1-sulfonyl chloride?
The IUPAC name of 3,4-dihydronaphthalene-1-sulfonyl chloride (CID 54105806) is 3,4-dihydronaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 3,4-dihydronaphthalene-1-sulfonyl chloride?
The canonical SMILES for 3,4-dihydronaphthalene-1-sulfonyl chloride is O=S(=O)(Cl)C1=CCCc2ccccc21.
What is the InChIKey of 3,4-dihydronaphthalene-1-sulfonyl chloride?
The InChIKey is NDRDJMFRANXMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6-7H,3,5H2.
What are the key properties of 3,4-dihydronaphthalene-1-sulfonyl chloride?
3,4-dihydronaphthalene-1-sulfonyl chloride has a molecular weight of 228.70 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydronaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 54105806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).